SCHEMBL8322606

SCHEMBL8322606

COc1cccc(Oc2c(N)ncnc2OCCO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.44
EDNRA P25101 3/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7850652 0.83 EDNRA (0.47) EDNRBEDNRA
SCHEMBL7327716 0.82 DHPS (0.45) EDNRBEDNRA
SCHEMBL4066610 0.81 EDNRB (0.56) EDNRBEDNRA
SCHEMBL5764472 0.78 EDNRB (0.62) EDNRBEDNRA
SCHEMBL5107783 0.76 EDNRB (0.64) EDNRBEDNRA
SCHEMBL7699473 0.72 ALDH1A1 (0.48)
SCHEMBL8472793 0.70 TSHR (0.53)
SCHEMBL21611480 0.67 SMN1; SMN2 (0.56)
SCHEMBL15730502 0.66 L3MBTL1 (0.41)
SCHEMBL25219606 0.66 MAOB (0.41)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed